From f1a8ae214b0064b53952f8e6128900ead29cbaa5 Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Sun, 14 Aug 2022 20:56:26 +0100
Subject: [PATCH 01/12] remove iloc

---
 src/alchemlyb/tests/test_convergence.py | 38 +++++++------------------
 1 file changed, 11 insertions(+), 27 deletions(-)

diff --git a/src/alchemlyb/tests/test_convergence.py b/src/alchemlyb/tests/test_convergence.py
index 7013d119..55ff832c 100644
--- a/src/alchemlyb/tests/test_convergence.py
+++ b/src/alchemlyb/tests/test_convergence.py
@@ -14,37 +14,21 @@ def test_convergence_ti(gmx_benzene):
     dHdl, u_nk = gmx_benzene
     convergence = forward_backward_convergence(dHdl, 'TI')
     assert convergence.shape == (10, 5)
-    assert convergence.iloc[0, 0] == pytest.approx(3.07, 0.01)
-    assert convergence.iloc[0, 2] == pytest.approx(3.11, 0.01)
-    assert convergence.iloc[-1, 0] == pytest.approx(3.09, 0.01)
-    assert convergence.iloc[-1, 2] == pytest.approx(3.09, 0.01)
 
-def test_convergence_mbar(gmx_benzene):
-    dHdl, u_nk = gmx_benzene
-    convergence = forward_backward_convergence(u_nk, 'MBAR')
-    assert convergence.shape == (10, 5)
-    assert convergence.iloc[0, 0] == pytest.approx(3.02, 0.01)
-    assert convergence.iloc[0, 2] == pytest.approx(3.06, 0.01)
-    assert convergence.iloc[-1, 0] == pytest.approx(3.05, 0.01)
-    assert convergence.iloc[-1, 2] == pytest.approx(3.04, 0.01)
-
-def test_convergence_autombar(gmx_benzene):
-    dHdl, u_nk = gmx_benzene
-    convergence = forward_backward_convergence(u_nk, 'AutoMBAR')
-    assert convergence.shape == (10, 5)
-    assert convergence.iloc[0, 0] == pytest.approx(3.02, 0.01)
-    assert convergence.iloc[0, 2] == pytest.approx(3.06, 0.01)
-    assert convergence.iloc[-1, 0] == pytest.approx(3.05, 0.01)
-    assert convergence.iloc[-1, 2] == pytest.approx(3.04, 0.01)
+    assert convergence.loc[0, 'Forward'] == pytest.approx(3.07, 0.01)
+    assert convergence.loc[0, 'Backward'] == pytest.approx(3.11, 0.01)
+    assert convergence.loc[9, 'Forward'] == pytest.approx(3.09, 0.01)
+    assert convergence.loc[9, 'Backward'] == pytest.approx(3.09, 0.01)
 
-def test_convergence_bar(gmx_benzene):
+@pytest.mark.parametrize('estimator', ('MBAR', 'AutoMBAR', 'BAR'))
+def test_convergence_fep(gmx_benzene, estimator):
     dHdl, u_nk = gmx_benzene
-    convergence = forward_backward_convergence(u_nk, 'BAR')
+    convergence = forward_backward_convergence(u_nk, estimator)
     assert convergence.shape == (10, 5)
-    assert convergence.iloc[0, 0] == pytest.approx(3.02, 0.01)
-    assert convergence.iloc[0, 2] == pytest.approx(3.06, 0.01)
-    assert convergence.iloc[-1, 0] == pytest.approx(3.05, 0.01)
-    assert convergence.iloc[-1, 2] == pytest.approx(3.04, 0.01)
+    assert convergence.loc[0, 'Forward'] == pytest.approx(3.02, 0.01)
+    assert convergence.loc[0, 'Backward'] == pytest.approx(3.06, 0.01)
+    assert convergence.loc[9, 'Forward'] == pytest.approx(3.05, 0.01)
+    assert convergence.loc[9, 'Backward'] == pytest.approx(3.04, 0.01)
 
 def test_convergence_wrong_estimator(gmx_benzene):
     dHdl, u_nk = gmx_benzene

From afc54b879a84f5c862eb4cdaf6bcbf213ed7426b Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Wed, 17 Aug 2022 19:44:06 +0100
Subject: [PATCH 02/12] update loc

---
 src/alchemlyb/tests/test_visualisation.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/alchemlyb/tests/test_visualisation.py b/src/alchemlyb/tests/test_visualisation.py
index bcaf4a32..72f1a730 100644
--- a/src/alchemlyb/tests/test_visualisation.py
+++ b/src/alchemlyb/tests/test_visualisation.py
@@ -148,13 +148,13 @@ def test_plot_convergence():
         slice = int(len(data_list[0])/num_points*i)
         u_nk_coul = alchemlyb.concat([data[:slice] for data in data_list])
         estimate = MBAR().fit(u_nk_coul)
-        forward.append(estimate.delta_f_.iloc[0,-1])
-        forward_error.append(estimate.d_delta_f_.iloc[0,-1])
+        forward.append(estimate.delta_f_.loc[0.0,1.0])
+        forward_error.append(estimate.d_delta_f_.loc[0.0,1.0])
         # Do the backward
         u_nk_coul = alchemlyb.concat([data[-slice:] for data in data_list])
         estimate = MBAR().fit(u_nk_coul)
-        backward.append(estimate.delta_f_.iloc[0,-1])
-        backward_error.append(estimate.d_delta_f_.iloc[0,-1])
+        backward.append(estimate.delta_f_.loc[0.0,1.0])
+        backward_error.append(estimate.d_delta_f_.loc[0.0,1.0])
 
     ax = plot_convergence(forward, forward_error, backward, backward_error)
     assert isinstance(ax, matplotlib.axes.Axes)

From 3fd100581aa2ac673e81d63242d67c9dfcb340df Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Sun, 16 Oct 2022 20:57:04 +0100
Subject: [PATCH 03/12] update

---
 src/alchemlyb/tests/parsing/test_gmx.py   | 11 ++++++-----
 src/alchemlyb/tests/test_convergence.py   |  2 +-
 src/alchemlyb/tests/test_ti_estimators.py |  4 ++--
 src/alchemlyb/tests/test_units.py         |  6 +++---
 4 files changed, 12 insertions(+), 11 deletions(-)

diff --git a/src/alchemlyb/tests/parsing/test_gmx.py b/src/alchemlyb/tests/parsing/test_gmx.py
index a5c6e0bc..d85ad1bf 100644
--- a/src/alchemlyb/tests/parsing/test_gmx.py
+++ b/src/alchemlyb/tests/parsing/test_gmx.py
@@ -124,7 +124,7 @@ def test_u_nk_with_total_energy():
 
     # Check one specific value in the dataframe
     assert_almost_equal(
-        extract_u_nk(dataset['data']['AllStates'][0], T=300).iloc[0][0],
+        extract_u_nk(dataset['data']['AllStates'][0], T=300).loc[0][(0.0,0.0)].values[0],
         -11211.577658852531,
         decimal=6
     )
@@ -142,7 +142,7 @@ def test_u_nk_with_potential_energy():
 
     # Check one specific value in the dataframe
     assert_almost_equal(
-        extract_u_nk(dataset['data']['AllStates'][0], T=300).iloc[0][0],
+        extract_u_nk(dataset['data']['AllStates'][0], T=300).loc[0][(0.0,0.0)].values[0],
         -15656.557252200757,
         decimal=6
     )
@@ -161,7 +161,7 @@ def test_u_nk_without_energy():
 
     # Check one specific value in the dataframe
     assert_almost_equal(
-        extract_u_nk(dataset['data']['AllStates'][0], T=300).iloc[0][0],
+        extract_u_nk(dataset['data']['AllStates'][0], T=300).loc[0][(0.0,0.0)].values[0],
         0.0,
         decimal=6
     )
@@ -180,8 +180,9 @@ def _diag_sum(dataset):
             u_nk = extract_u_nk(filename, T=300)
 
             # Calculate the sum of diagonal elements:
-            for i in range(len(dataset['data'][leg])):
-                ds += u_nk.iloc[i][i]
+            for i, lambda_ in enumerate(u_nk.columns):
+                #18.6 is the time step
+                ds += u_nk.loc[i*186/10][lambda_].values[0]
 
     return ds
 
diff --git a/src/alchemlyb/tests/test_convergence.py b/src/alchemlyb/tests/test_convergence.py
index 7a363426..582cf9d5 100644
--- a/src/alchemlyb/tests/test_convergence.py
+++ b/src/alchemlyb/tests/test_convergence.py
@@ -22,7 +22,7 @@ def test_convergence_ti(gmx_benzene):
 
 def test_convergence_fep(gmx_benzene):
     dHdl, u_nk = gmx_benzene
-    convergence = forward_backward_convergence(u_nk, estimator)
+    convergence = forward_backward_convergence(u_nk, 'MBAR')
     assert convergence.shape == (10, 5)
     assert convergence.loc[0, 'Forward'] == pytest.approx(3.02, 0.01)
     assert convergence.loc[0, 'Backward'] == pytest.approx(3.06, 0.01)
diff --git a/src/alchemlyb/tests/test_ti_estimators.py b/src/alchemlyb/tests/test_ti_estimators.py
index 01b52de4..aed93d64 100644
--- a/src/alchemlyb/tests/test_ti_estimators.py
+++ b/src/alchemlyb/tests/test_ti_estimators.py
@@ -109,8 +109,8 @@ class TIestimatorMixin:
     def test_get_delta_f(self, X_delta_f):
         dHdl, E, dE = X_delta_f
         est = self.cls().fit(dHdl)
-        delta_f = est.delta_f_.iloc[0, -1]
-        d_delta_f = est.d_delta_f_.iloc[0, -1]
+        delta_f = est.delta_f_.loc[(0.0,1.0)]
+        d_delta_f = est.d_delta_f_.loc[(0.0,1.0)]
 
         assert E == pytest.approx(delta_f, rel=1e-3)
         assert dE == pytest.approx(d_delta_f, rel=1e-3)
diff --git a/src/alchemlyb/tests/test_units.py b/src/alchemlyb/tests/test_units.py
index db9c613e..2d2fd76b 100644
--- a/src/alchemlyb/tests/test_units.py
+++ b/src/alchemlyb/tests/test_units.py
@@ -56,7 +56,7 @@ def dhdl():
 
     def test_kt2kt_number(self, dhdl):
         new_dhdl = to_kT(dhdl)
-        assert 12.9 == pytest.approx(new_dhdl.iloc[0, 0], 0.1)
+        assert 12.9 == pytest.approx(new_dhdl.loc[(0.0,0.0)], 0.1)
 
     def test_kt2kt_unit(self, dhdl):
         new_dhdl = to_kT(dhdl)
@@ -70,7 +70,7 @@ def test_kj2kt_unit(self, dhdl):
     def test_kj2kt_number(self, dhdl):
         dhdl.attrs['energy_unit'] = 'kJ/mol'
         new_dhdl = to_kT(dhdl)
-        assert 5.0 == pytest.approx(new_dhdl.iloc[0, 0], 0.1)
+        assert 5.0 == pytest.approx(new_dhdl.loc[(0.0,0.0)], 0.1)
 
     def test_kcal2kt_unit(self, dhdl):
         dhdl.attrs['energy_unit'] = 'kcal/mol'
@@ -80,7 +80,7 @@ def test_kcal2kt_unit(self, dhdl):
     def test_kcal2kt_number(self, dhdl):
         dhdl.attrs['energy_unit'] = 'kcal/mol'
         new_dhdl = to_kT(dhdl)
-        assert 21.0 == pytest.approx(new_dhdl.iloc[0, 0], 0.1)
+        assert 21.0 == pytest.approx(new_dhdl.loc[(0.0,0.0)], 0.1)
 
     def test_unknown2kt(self, dhdl):
         dhdl.attrs['energy_unit'] = 'ddd'

From 7609dc26a8e6970319ab76f21ceaec28ab8b8ed4 Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Sun, 16 Oct 2022 21:32:18 +0100
Subject: [PATCH 04/12] update

---
 src/alchemlyb/tests/test_fep_estimators.py | 2 +-
 src/alchemlyb/tests/test_preprocessing.py  | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/alchemlyb/tests/test_fep_estimators.py b/src/alchemlyb/tests/test_fep_estimators.py
index e6c340c7..7135c255 100644
--- a/src/alchemlyb/tests/test_fep_estimators.py
+++ b/src/alchemlyb/tests/test_fep_estimators.py
@@ -181,7 +181,7 @@ def test_failback_adaptive(self, n_uk_list):
         # The hybr will fail on this while adaptive will work
         mbar = AutoMBAR().fit(alchemlyb.concat([n_uk[:2] for n_uk in
                                                 n_uk_list]))
-        assert np.isclose(mbar.d_delta_f_.iloc[0, -1], 1.76832, 0.1)
+        assert np.isclose(mbar.d_delta_f_[(0.0, 0.0, 0.0)][(1.0, 1.0, 1.0)], 1.76832, 0.1)
 
 def test_AutoMBAR_BGFS():
     # A case where only BFGS would work
diff --git a/src/alchemlyb/tests/test_preprocessing.py b/src/alchemlyb/tests/test_preprocessing.py
index 595eda90..c189df28 100644
--- a/src/alchemlyb/tests/test_preprocessing.py
+++ b/src/alchemlyb/tests/test_preprocessing.py
@@ -135,10 +135,10 @@ def test_disordered_exception(self, data):
         """Test that a shuffled DataFrame yields a KeyError.
 
         """
-        indices = np.arange(len(data))
+        indices = data.index.values
         np.random.shuffle(indices)
 
-        df = data.iloc[indices]
+        df = data.loc[indices]
 
         with pytest.raises(KeyError):
             self.slicer(df, lower=200)

From 50bf8aa790040d4a098d1d3eb63b67ee471e5d97 Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Sun, 16 Oct 2022 22:00:19 +0100
Subject: [PATCH 05/12] ifx test

---
 src/alchemlyb/tests/test_ti_estimators.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/alchemlyb/tests/test_ti_estimators.py b/src/alchemlyb/tests/test_ti_estimators.py
index aed93d64..01b52de4 100644
--- a/src/alchemlyb/tests/test_ti_estimators.py
+++ b/src/alchemlyb/tests/test_ti_estimators.py
@@ -109,8 +109,8 @@ class TIestimatorMixin:
     def test_get_delta_f(self, X_delta_f):
         dHdl, E, dE = X_delta_f
         est = self.cls().fit(dHdl)
-        delta_f = est.delta_f_.loc[(0.0,1.0)]
-        d_delta_f = est.d_delta_f_.loc[(0.0,1.0)]
+        delta_f = est.delta_f_.iloc[0, -1]
+        d_delta_f = est.d_delta_f_.iloc[0, -1]
 
         assert E == pytest.approx(delta_f, rel=1e-3)
         assert dE == pytest.approx(d_delta_f, rel=1e-3)

From e4c0a4d6532427730f9fac34a8b9b4a7623843c7 Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Sun, 4 Dec 2022 10:48:49 +0000
Subject: [PATCH 06/12] update

---
 CHANGES                                   | 1 +
 src/alchemlyb/tests/test_convergence.py   | 5 +++--
 src/alchemlyb/tests/test_preprocessing.py | 4 ++--
 src/alchemlyb/tests/test_ti_estimators.py | 2 ++
 4 files changed, 8 insertions(+), 4 deletions(-)

diff --git a/CHANGES b/CHANGES
index 4bd7e8cc..45d1de88 100644
--- a/CHANGES
+++ b/CHANGES
@@ -18,6 +18,7 @@ The rules for this file:
   * 1.0.1
 
 Fixes
+  - Remove most of the iloc in the tests (issue #202, PR #254).
   - AMBER parser now raises ValueError when the initial simulation time
     is not found (issue #272, PR #273).
   - The regex in the AMBER parser now reads also 'field=value' pairs where
diff --git a/src/alchemlyb/tests/test_convergence.py b/src/alchemlyb/tests/test_convergence.py
index f385a7b0..bae2b350 100644
--- a/src/alchemlyb/tests/test_convergence.py
+++ b/src/alchemlyb/tests/test_convergence.py
@@ -24,9 +24,10 @@ def test_convergence_ti(gmx_benzene):
     assert convergence.loc[9, 'Forward'] == pytest.approx(3.09, 0.01)
     assert convergence.loc[9, 'Backward'] == pytest.approx(3.09, 0.01)
 
-def test_convergence_fep(gmx_benzene):
+@pytest.mark.parametrize('estimator', ['MBAR', 'BAR'])
+def test_convergence_fep(gmx_benzene, estimator):
     dHdl, u_nk = gmx_benzene
-    convergence = forward_backward_convergence(u_nk, 'MBAR')
+    convergence = forward_backward_convergence(u_nk, estimator)
     assert convergence.shape == (10, 5)
     assert convergence.loc[0, 'Forward'] == pytest.approx(3.02, 0.01)
     assert convergence.loc[0, 'Backward'] == pytest.approx(3.06, 0.01)
diff --git a/src/alchemlyb/tests/test_preprocessing.py b/src/alchemlyb/tests/test_preprocessing.py
index 05048ad8..a124c1aa 100644
--- a/src/alchemlyb/tests/test_preprocessing.py
+++ b/src/alchemlyb/tests/test_preprocessing.py
@@ -233,7 +233,7 @@ def test_subsampling(self, data, size):
         """Basic test for execution; resulting size of dataset sensitive to
         machine and depends on algorithm.
         """
-        assert len(self.slicer(data, series=data.iloc[:, 0])) <= size
+        assert len(self.slicer(data, series=data.loc[:, data.columns[0]])) <= size
 
     @pytest.mark.parametrize('data', [gmx_benzene_dHdl(),
                                       gmx_benzene_u_nk()])
@@ -260,7 +260,7 @@ def slicer(self, *args, **kwargs):
                                  (False, gmx_benzene_u_nk(), 3571),
                              ])
     def test_conservative(self, data, size, conservative):
-        sliced = self.slicer(data, series=data.iloc[:, 0], conservative=conservative)
+        sliced = self.slicer(data, series=data.loc[:, data.columns[0]], conservative=conservative)
         # results can vary slightly with different machines
         # so possibly do
         # delta = 10
diff --git a/src/alchemlyb/tests/test_ti_estimators.py b/src/alchemlyb/tests/test_ti_estimators.py
index 01b52de4..38b623a8 100644
--- a/src/alchemlyb/tests/test_ti_estimators.py
+++ b/src/alchemlyb/tests/test_ti_estimators.py
@@ -109,6 +109,8 @@ class TIestimatorMixin:
     def test_get_delta_f(self, X_delta_f):
         dHdl, E, dE = X_delta_f
         est = self.cls().fit(dHdl)
+        # Use .iloc[0, -1] as we want to cater for both
+        # delta_f_.loc[0.0, 1.0] and delta_f_.loc[(0.0, 0.0), (0.0, 1.0)]
         delta_f = est.delta_f_.iloc[0, -1]
         d_delta_f = est.d_delta_f_.iloc[0, -1]
 

From 6839b8bd17f174342e6b396f7ce3d32957c2a280 Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Sun, 4 Dec 2022 10:49:48 +0000
Subject: [PATCH 07/12] update

---
 src/alchemlyb/tests/test_fep_estimators.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/alchemlyb/tests/test_fep_estimators.py b/src/alchemlyb/tests/test_fep_estimators.py
index 52c93e88..f61a1a43 100644
--- a/src/alchemlyb/tests/test_fep_estimators.py
+++ b/src/alchemlyb/tests/test_fep_estimators.py
@@ -139,6 +139,8 @@ def compare_delta_f(self, X_delta_f):
         assert X_delta_f[2] == pytest.approx(d_delta_f, rel=1e-3)
 
     def get_delta_f(self, est):
+        # Use .iloc[0, -1] as we want to cater for both
+        # delta_f_.loc[0.0, 1.0] and delta_f_.loc[(0.0, 0.0), (0.0, 1.0)]
         return est.delta_f_.iloc[0, -1], est.d_delta_f_.iloc[0, -1]
 
 
@@ -227,6 +229,8 @@ def get_delta_f(self, est):
 
         for i in range(len(est.d_delta_f_) - 1):
             ee += est.d_delta_f_.values[i][i+1]**2
+        # Use .iloc[0, -1] as we want to cater for both
+        # delta_f_.loc[0.0, 1.0] and delta_f_.loc[(0.0, 0.0), (0.0, 1.0)]
         return est.delta_f_.iloc[0, -1], ee**0.5
 
 class Test_Units():

From 91a39289cc6e36ea5ac3155c8171d31d854eb4cb Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Sun, 4 Dec 2022 18:32:04 +0000
Subject: [PATCH 08/12] update

---
 environment.yml | 4 +++-
 readthedocs.yml | 9 ++++-----
 2 files changed, 7 insertions(+), 6 deletions(-)

diff --git a/environment.yml b/environment.yml
index e8c92a4a..61a4b37d 100644
--- a/environment.yml
+++ b/environment.yml
@@ -2,10 +2,12 @@ name: alchemlyb
 channels:
 - conda-forge
 dependencies:
-- python
+- python=3.8
 - numpy
 - pandas
 - pymbar >=3.0.5,<4
 - scipy
 - scikit-learn
 - matplotlib
+- pip
+  - -e .
diff --git a/readthedocs.yml b/readthedocs.yml
index 35ffa343..7b0ff11a 100644
--- a/readthedocs.yml
+++ b/readthedocs.yml
@@ -7,11 +7,10 @@ sphinx:
 formats:
   - pdf
 
-python:
-  version: 3.8
-  install:
-    - method: pip
-      path: .
+build:
+  os: "ubuntu-20.04"
+  tools:
+    python: "mambaforge-4.10"
 
 conda:
     environment: environment.yml

From 0d81a47be728f10cdb94a0c026c8143c6d706c44 Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Sun, 4 Dec 2022 18:36:08 +0000
Subject: [PATCH 09/12] update

---
 environment.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/environment.yml b/environment.yml
index 61a4b37d..6521b1f4 100644
--- a/environment.yml
+++ b/environment.yml
@@ -10,4 +10,4 @@ dependencies:
 - scikit-learn
 - matplotlib
 - pip
-  - -e .
+  - .

From 1afd2b98817676cbd1e1d415b2c0960418bb5a4b Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Sun, 4 Dec 2022 18:37:13 +0000
Subject: [PATCH 10/12] update

---
 environment.yml | 2 --
 1 file changed, 2 deletions(-)

diff --git a/environment.yml b/environment.yml
index 6521b1f4..cdc9d1e9 100644
--- a/environment.yml
+++ b/environment.yml
@@ -9,5 +9,3 @@ dependencies:
 - scipy
 - scikit-learn
 - matplotlib
-- pip
-  - .

From 1ab2c67ae9ee1c21168a451971a87bcc227c7680 Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Sun, 4 Dec 2022 20:03:58 +0000
Subject: [PATCH 11/12] update

---
 readthedocs.yml | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/readthedocs.yml b/readthedocs.yml
index 7b0ff11a..99e5cc16 100644
--- a/readthedocs.yml
+++ b/readthedocs.yml
@@ -14,3 +14,8 @@ build:
 
 conda:
     environment: environment.yml
+
+python:
+  install:
+    - method: pip
+      path: .
\ No newline at end of file

From 45c9e0ae0de346867533292c9a4564e196ee1154 Mon Sep 17 00:00:00 2001
From: "William (Zhiyi) Wu" <william@zhiyiwu.me>
Date: Mon, 5 Dec 2022 20:54:43 +0000
Subject: [PATCH 12/12] update the RTD part

---
 readthedocs.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/readthedocs.yml b/readthedocs.yml
index 99e5cc16..71851b19 100644
--- a/readthedocs.yml
+++ b/readthedocs.yml
@@ -18,4 +18,4 @@ conda:
 python:
   install:
     - method: pip
-      path: .
\ No newline at end of file
+      path: .